N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-(hydroxymethyl)-2-oxo-ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methylol-ethyl]-3H-benzimidazole-5-carboxamide Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CO)NC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CO)NC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C17H22N4O3/c22-10-15(17(24)21-7-3-1-2-4-8-21)20-16(23)12-5-6-13-14(9-12)19-11-18-13/h5-6,9,11,15,22H,1-4,7-8,10H2,(H,18,19)(H,20,23)/t15-/m0/s1